ethyl 3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[(4-benzyloxyphenyl)methyl]-3-(4-fluorophenyl)pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(4-benzoxybenzyl)-3-(4-fluorophenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C26H23FN2O3 MolecularWeight: 430.470823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1C2=CC=C(C=C2)F)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN(N=C1C2=CC=C(C=C2)F)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23FN2O3/c1-2-31-26(30)24-17-29(28-25(24)21-10-12-22(27)13-11-21)16-19-8-14-23(15-9-19)32-18-20-6-4-3-5-7-20/h3-15,17H,2,16,18H2,1H3